4-ethylidenedeca-2,8-diene

C12H20 — CID 91588113

IUPAC4-ethylidenedeca-2,8-diene
SMILESCC=CCCCC(C=CC)=CC
InChIInChI=1S/C12H20/c1-4-7-8-9-11-12(6-3)10-5-2/h4-7,10H,8-9,11H2,1-3H3
InChIKeySFNRHTFVHYYNRE-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds5

About 4-ethylidenedeca-2,8-diene

4-ethylidenedeca-2,8-diene (PubChem CID 91588113) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-ethylidenedeca-2,8-diene.

Molecular Properties

Compound Name4-ethylidenedeca-2,8-diene
PubChem CID91588113
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-ethylidenedeca-2,8-diene
SMILESCC=CCCCC(C=CC)=CC
InChIInChI=1S/C12H20/c1-4-7-8-9-11-12(6-3)10-5-2/h4-7,10H,8-9,11H2,1-3H3
InChIKeySFNRHTFVHYYNRE-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-ethylidenedeca-2,8-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
(E)-hept-5-enamide
CID 18415105
sodium;hept-5-enoic acid;hydride
CID 174384913
non-7-en-3-one
CID 56994302
(E)-2-methylnon-7-en-3-one
CID 88707157
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
hept-2-ene;methanol
CID 135236025
(Z,4Z)-4-ethylidene-7-methyloct-2-ene
CID 142183675
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762

Frequently Asked Questions

What is the IUPAC name of 4-ethylidenedeca-2,8-diene?
The IUPAC name of 4-ethylidenedeca-2,8-diene (CID 91588113) is 4-ethylidenedeca-2,8-diene.
What is the SMILES notation for 4-ethylidenedeca-2,8-diene?
The canonical SMILES for 4-ethylidenedeca-2,8-diene is CC=CCCCC(C=CC)=CC.
What is the InChIKey of 4-ethylidenedeca-2,8-diene?
The InChIKey is SFNRHTFVHYYNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-7-8-9-11-12(6-3)10-5-2/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 4-ethylidenedeca-2,8-diene?
4-ethylidenedeca-2,8-diene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidenedeca-2,8-diene is sourced from PubChem (CID 91588113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).